1-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)-3-(thiophen-2-ylmethyl)urea

Systemtic Name: 1-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)-3-(thiophen-2-ylmethyl)urea Openeye Name: 1-(5-ethyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)-3-(2-thienylmethyl)urea CAS Name: 1-(5-ethyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)-3-(thiophen-2-ylmethyl)urea IUPAC Name: 1-(5-ethyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)-3-(thiophen-2-ylmethyl)urea Traditional Name: 1-(5-ethyl-6-keto-benzo[b][1,4]benzothiazepin-3-yl)-3-(2-thenyl)urea Formula: C21H19N3O2S2 MolecularWeight: 409.52446

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)NC(=O)NCC3=CC=CS3)SC4=CC=CC=C4C1=O

Isomeric SMILES

CCN1C2=C(C=CC(=C2)NC(=O)NCC3=CC=CS3)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C21H19N3O2S2/c1-2-24-17-12-14(23-21(26)22-13-15-6-5-11-27-15)9-10-19(17)28-18-8-4-3-7-16(18)20(24)25/h3-12H,2,13H2,1H3,(H2,22,23,26)